2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 7H-purine; pyridine-3-carboxamide; pyrimidine

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 7H-purine; pyridine-3-carboxamide; pyrimidine Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-(1H-indol-3-yl)propanoic acid; 7H-purine; pyridine-3-carboxamide; pyrimidine CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-(1H-indol-3-yl)propanoic acid; 7H-purine; 3-pyridinecarboxamide; pyrimidine IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-(1H-indol-3-yl)propanoic acid; 7H-purine; pyridine-3-carboxamide; pyrimidine Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-amino-3-(1H-indol-3-yl)propionic acid; nicotinamide; 7H-purine; pyrimidine Formula: C32H35N13O5 MolecularWeight: 681.7044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC(=CN=C1)C(=O)N.C1=CN=CN=C1.C1=C(NC=N1)CC(C(=O)O)N.C1=C2C(=NC=N1)N=CN2

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC(=CN=C1)C(=O)N.C1=CN=CN=C1.C1=C(NC=N1)CC(C(=O)O)N.C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C11H12N2O2.C6H9N3O2.C6H6N2O.C5H4N4.C4H4N2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-5(6(10)11)1-4-2-8-3-9-4;7-6(9)5-2-1-3-8-4-5;1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1/h1-4,6,9,13H,5,12H2,(H,14,15);2-3,5H,1,7H2,(H,8,9)(H,10,11);1-4H,(H2,7,9);1-3H,(H,6,7,8,9);1-4H